1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane

C59H55GeIrN3O-2 — CID 166498981

IUPAC1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
SMILESCC(C)(C)c1cc(-c2ccccc2)ccc1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.CC(C)Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C35H27N2O.C24H28GeN.Ir/c1-35(2,3)28-22-24(23-11-5-4-6-12-23)17-19-30(28)37-31-15-9-8-14-29(31)36-34(37)25-18-20-33-27(21-25)26-13-7-10-16-32(26)38-33;1-18(2)14-22-16-24(26-17-23(22)25(3,4)5)21-13-9-12-20(15-21)19-10-7-6-8-11-19;/h4-17,19-22H,1-3H3;6-12,15-18H,14H2,1-5H3;/q2*-1;
InChIKeyBODUTRWTUFNJAS-UHFFFAOYSA-N
MW1086.94 g/mol
LogP15.31
Rot. Bonds8

About 1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane

1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane (PubChem CID 166498981) has the molecular formula C59H55GeIrN3O-2 and a molecular weight of 1086.94 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

Compound Name1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
PubChem CID166498981
Molecular FormulaC59H55GeIrN3O-2
Molecular Weight1086.94 g/mol
Exact Mass1088.32
IUPAC Name1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
SMILESCC(C)(C)c1cc(-c2ccccc2)ccc1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.CC(C)Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C35H27N2O.C24H28GeN.Ir/c1-35(2,3)28-22-24(23-11-5-4-6-12-23)17-19-30(28)37-31-15-9-8-14-29(31)36-34(37)25-18-20-33-27(21-25)26-13-7-10-16-32(26)38-33;1-18(2)14-22-16-24(26-17-23(22)25(3,4)5)21-13-9-12-20(15-21)19-10-7-6-8-11-19;/h4-17,19-22H,1-3H3;6-12,15-18H,14H2,1-5H3;/q2*-1;
InChIKeyBODUTRWTUFNJAS-UHFFFAOYSA-N
XLogP15.31
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.94
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156667638
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156672260
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156669072
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
CID 156659963
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156672161
2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]germane
CID 156660745
iridium;1-(4-phenylphenyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156660197
1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 156658590
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670947
6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668337
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156670140
2-(3H-dibenzofuran-3-id-2-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 171435703

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?
The IUPAC name of 1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane (CID 166498981) is 1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane.
What is the SMILES notation for 1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?
The canonical SMILES for 1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane is CC(C)(C)c1cc(-c2ccccc2)ccc1-n1c(-c2[c-]cc3oc4ccccc4c3c2)nc2ccccc21.CC(C)Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Ge](C)(C)C.[Ir].
What is the InChIKey of 1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?
The InChIKey is BODUTRWTUFNJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N2O.C24H28GeN.Ir/c1-35(2,3)28-22-24(23-11-5-4-6-12-23)17-19-30(28)37-31-15-9-8-14-29(31)36-34(37)25-18-20-33-27(21-25)26-13-7-10-16-32(26)38-33;1-18(2)14-22-16-24(26-17-23(22)25(3,4)5)21-13-9-12-20(15-21)19-10-7-6-8-11-19;/h4-17,19-22H,1-3H3;6-12,15-18H,14H2,1-5H3;/q2*-1;.
What are the key properties of 1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane?
1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane has a molecular weight of 1086.94 g/mol, XLogP of 15.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-phenylphenyl)-2-(3H-dibenzofuran-3-id-2-yl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 166498981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).